ethyl 3-bromo-4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoate

C14H13BrN2O4 — CID 43423490

IUPACethyl 3-bromo-4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(C)no2)c(Br)c1
InChIInChI=1S/C14H13BrN2O4/c1-3-20-14(19)9-4-5-11(10(15)7-9)16-13(18)12-6-8(2)17-21-12/h4-7H,3H2,1-2H3,(H,16,18)
InChIKeyXKERSXGCDCRBPF-UHFFFAOYSA-N
MW353.17 g/mol
LogP3.17
Rot. Bonds4

About ethyl 3-bromo-4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoate

ethyl 3-bromo-4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoate (PubChem CID 43423490) has the molecular formula C14H13BrN2O4 and a molecular weight of 353.17 g/mol. Its IUPAC name is ethyl 3-bromo-4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-bromo-4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoate
PubChem CID43423490
Molecular FormulaC14H13BrN2O4
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC Nameethyl 3-bromo-4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(C)no2)c(Br)c1
InChIInChI=1S/C14H13BrN2O4/c1-3-20-14(19)9-4-5-11(10(15)7-9)16-13(18)12-6-8(2)17-21-12/h4-7H,3H2,1-2H3,(H,16,18)
InChIKeyXKERSXGCDCRBPF-UHFFFAOYSA-N
XLogP3.17
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-bromo-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 43623843
ethyl 3-bromo-4-[(3,5-dibromo-4-hydroxybenzoyl)amino]benzoate
CID 175065504
ethyl 3-bromo-4-[(2-bromofuran-3-carbonyl)amino]benzoate
CID 106853094
ethyl 3-bromo-4-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 43664920
ethyl 3-bromo-4-(pyridine-3-carbonylamino)benzoate
CID 43623837
ethyl 3-bromo-4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43623829
ethyl 3-bromo-4-(1,2,5-thiadiazole-3-carbonylamino)benzoate
CID 43623885
ethyl 3-bromo-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 43623847
ethyl 4-(2-aminopropanoylamino)-3-bromobenzoate
CID 43703064
ethyl 3-bromo-4-(diethylcarbamoylamino)benzoate
CID 79162080
ethyl 3-bromo-4-(prop-2-enoylamino)benzoate
CID 43623883
ethyl 3-bromo-4-(ethylsulfonylamino)benzoate
CID 43624445

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoate?
The IUPAC name of ethyl 3-bromo-4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoate (CID 43423490) is ethyl 3-bromo-4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 3-bromo-4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 3-bromo-4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc(C)no2)c(Br)c1.
What is the InChIKey of ethyl 3-bromo-4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoate?
The InChIKey is XKERSXGCDCRBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4/c1-3-20-14(19)9-4-5-11(10(15)7-9)16-13(18)12-6-8(2)17-21-12/h4-7H,3H2,1-2H3,(H,16,18).
What are the key properties of ethyl 3-bromo-4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoate?
ethyl 3-bromo-4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoate has a molecular weight of 353.17 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoate is sourced from PubChem (CID 43423490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).